2-[2-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C20H18N4O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C20H18N4O4S3
Smiles	OC(COc1c(/C=N\NC(CSc2nnc(SCc3ccccc3)s2)=O)cccc1)=O
InChI	InChI=1S/C20H18N4O4S3/c25-17(22-21-10-15-8-4-5-9-16(15)28-11-18(26)27)13-30-20-24-23-19(31-20)29-12-14-6-2-1-3-7-14/h1-10H,11-13H2,(H,22,25)(H,26,27)
InChIK	DQXYAKADMILAPU-UHFFFAOYSA-N
TotalMolweight	474.585
Molweight	474.585
MonoisotopicMass	474.049016
CLogP	3.473
CLogS	-6.133
H Acceptors	8
H Donors	2
TotalSurfaceArea	350.57
Relative PSA	0.42625
PolarSurfaceArea	192.61
Druglikeness	4.9915
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	11
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[2-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

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